ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate

C15H29NO2 — CID 114593949

IUPACethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CC(C)CC(C)C1C
InChIInChI=1S/C15H29NO2/c1-6-8-14(15(17)18-7-2)16-10-11(3)9-12(4)13(16)5/h11-14H,6-10H2,1-5H3
InChIKeyXDDNWAIOQXOVSJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.08
Rot. Bonds5

About ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate

ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate (PubChem CID 114593949) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate
PubChem CID114593949
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CC(C)CC(C)C1C
InChIInChI=1S/C15H29NO2/c1-6-8-14(15(17)18-7-2)16-10-11(3)9-12(4)13(16)5/h11-14H,6-10H2,1-5H3
InChIKeyXDDNWAIOQXOVSJ-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 114593963
ethyl 2,3,5-trimethylpiperidine-1-carboxylate
CID 114597475
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate
CID 83042014
ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
CID 103898050
ethyl 2-(2-propan-2-ylpyrrolidin-1-yl)pentanoate
CID 83041509
ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate
CID 112622706
ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
CID 104975735
ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethyl 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentanoate
CID 83049959
ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate
CID 115758761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate?
The IUPAC name of ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate (CID 114593949) is ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate is CCCC(C(=O)OCC)N1CC(C)CC(C)C1C.
What is the InChIKey of ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate?
The InChIKey is XDDNWAIOQXOVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-8-14(15(17)18-7-2)16-10-11(3)9-12(4)13(16)5/h11-14H,6-10H2,1-5H3.
What are the key properties of ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate?
ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate has a molecular weight of 255.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate is sourced from PubChem (CID 114593949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).